ethyl 2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H25FN4O2S2 MolecularWeight: 508.630703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC=C(C=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(N(N=C3C)CC4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H25FN4O2S2/c1-4-33-25(32)21-14-22(19-8-6-5-7-9-19)35-24(21)29-26(34)28-23-16(2)30-31(17(23)3)15-18-10-12-20(27)13-11-18/h5-14H,4,15H2,1-3H3,(H2,28,29,34)